N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide

C18H22N2O — CID 66417086

IUPACN-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
SMILESCCc1cccc(C)c1NCc1ccccc1NC(C)=O
InChIInChI=1S/C18H22N2O/c1-4-15-10-7-8-13(2)18(15)19-12-16-9-5-6-11-17(16)20-14(3)21/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyQFTCORPUIVKHJE-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.13
Rot. Bonds5

About N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide

N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide (PubChem CID 66417086) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
PubChem CID66417086
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
SMILESCCc1cccc(C)c1NCc1ccccc1NC(C)=O
InChIInChI=1S/C18H22N2O/c1-4-15-10-7-8-13(2)18(15)19-12-16-9-5-6-11-17(16)20-14(3)21/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyQFTCORPUIVKHJE-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
2-(2-ethyl-6-methylanilino)-N-(2-ethylphenyl)acetamide
CID 109007629
N-[2-[(3-ethylanilino)methyl]phenyl]acetamide
CID 66386234
N-[2-[(3-hydroxyanilino)methyl]phenyl]acetamide
CID 66385038
N-(4-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819189
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(3-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819356
N-(3-acetamido-2-methylphenyl)-2-(2-methylphenyl)acetamide
CID 39975983
1-(2-chlorophenyl)-3-(2-ethyl-6-methylphenyl)urea
CID 3704943
N-(2-bromophenyl)-3-(2-ethyl-6-methylanilino)propanamide
CID 109036681

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide?
The IUPAC name of N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide (CID 66417086) is N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide is CCc1cccc(C)c1NCc1ccccc1NC(C)=O.
What is the InChIKey of N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide?
The InChIKey is QFTCORPUIVKHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-15-10-7-8-13(2)18(15)19-12-16-9-5-6-11-17(16)20-14(3)21/h5-11,19H,4,12H2,1-3H3,(H,20,21).
What are the key properties of N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide?
N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide has a molecular weight of 282.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide is sourced from PubChem (CID 66417086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).